SCHEMBL28021653

SCHEMBL28021653

O=P(O)(CCC1CCCCC1)OC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
MMP2 P08253 4/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
HPGD P15428 1/20 0.35
MMP9 P14780 1/20 0.35
EPHX1 P07099 3/20 0.33
MLYCD O95822 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28022152 0.84 METAP1 (0.39) METAP1MMP2CA12CA1CA2
SCHEMBL15259078 0.74 METAP1 (0.42) METAP1MMP2CA12CA1CA2
SCHEMBL7805193 0.73 METAP1 (0.57) METAP1MMP2CA12CA1CA2
SCHEMBL7921857 0.73 METAP1 (0.52) METAP1MMP2CA12CA1CA2
SCHEMBL778183 0.71 METAP1 (0.43) METAP1MMP2CA12CA1CA2
SCHEMBL15257415 0.70 METAP1 (0.42) METAP1MMP2CA12CA1CA2
SCHEMBL10715799 0.70 METAP1 (0.53) METAP1MMP2CA12CA1CA2
SCHEMBL779404 0.68 METAP1 (0.40) METAP1MMP2CA12CA1CA2
SCHEMBL18893731 0.67 METAP1 (0.46) METAP1MMP2CA12CA1CA2
SCHEMBL575148 0.66

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105633345-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2016-06-01 CN disclosed
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
CN-104868157-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same MITSUBISHI CHEM CORP 2015-08-26 CN disclosed